## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
823 |
139 |
363604 |
◊ |
D |
x,y,z |
1_555 |
743 |
168 |
18348 |
7155.4 |
-131.2 |
0.718 |
165 |
0 |
0 |
0.128 |
2 |
|
A |
796 |
151 |
363604 |
◊ |
N |
x,y,z |
1_555 |
638 |
137 |
12844 |
6678.9 |
-130.1 |
0.623 |
141 |
0 |
0 |
0.235 |
3 |
|
A |
733 |
118 |
363604 |
◊ |
C |
x,y,z |
1_555 |
607 |
131 |
14241 |
6139.9 |
-113.8 |
0.616 |
135 |
0 |
0 |
0.222 |
4 |
|
A |
648 |
111 |
363604 |
◊ |
E |
x,y,z |
1_555 |
518 |
130 |
14361 |
5402.5 |
-88.0 |
0.716 |
110 |
0 |
0 |
0.112 |
5 |
|
A |
482 |
95 |
363604 |
◊ |
Q |
x,y,z |
1_555 |
396 |
94 |
10672 |
4209.1 |
-76.5 |
0.660 |
104 |
0 |
0 |
0.107 |
6 |
|
A |
504 |
96 |
363604 |
◊ |
Z |
x,y,z |
1_555 |
381 |
87 |
10458 |
4051.6 |
-71.6 |
0.755 |
90 |
0 |
0 |
0.100 |
7 |
|
A |
513 |
109 |
363604 |
◊ |
M |
x,y,z |
1_555 |
371 |
81 |
11309 |
4022.3 |
-67.3 |
0.598 |
93 |
0 |
0 |
0.104 |
8 |
|
A |
388 |
71 |
363604 |
◊ |
S |
x,y,z |
1_555 |
334 |
82 |
8432 |
3105.7 |
-53.7 |
0.512 |
69 |
0 |
0 |
0.090 |
9 |
|
A |
366 |
59 |
363604 |
◊ |
4 |
x,y,z |
1_555 |
321 |
69 |
7722 |
3059.4 |
-60.9 |
0.299 |
54 |
0 |
0 |
0.087 |
10 |
|
A |
363 |
72 |
363604 |
◊ |
2 |
x,y,z |
1_555 |
260 |
54 |
4822 |
2821.9 |
-56.0 |
0.626 |
58 |
0 |
0 |
0.090 |
11 |
|
A |
339 |
58 |
363604 |
◊ |
U |
x,y,z |
1_555 |
275 |
68 |
8049 |
2774.7 |
-40.9 |
0.768 |
57 |
0 |
0 |
0.082 |
12 |
|
A |
316 |
58 |
363604 |
◊ |
J |
x,y,z |
1_555 |
265 |
61 |
8652 |
2604.0 |
-53.3 |
0.480 |
45 |
0 |
0 |
0.091 |
13 |
|
A |
292 |
60 |
363604 |
◊ |
R |
x,y,z |
1_555 |
246 |
59 |
6617 |
2457.7 |
-54.1 |
0.485 |
62 |
0 |
0 |
0.095 |
14 |
|
A |
279 |
50 |
363604 |
◊ |
K |
x,y,z |
1_555 |
249 |
69 |
8479 |
2424.0 |
-36.2 |
0.677 |
46 |
0 |
0 |
0.072 |
15 |
|
A |
323 |
52 |
363604 |
◊ |
3 |
x,y,z |
1_555 |
226 |
44 |
5014 |
2360.6 |
-32.5 |
0.597 |
33 |
0 |
0 |
0.066 |
16 |
|
B |
274 |
43 |
19635 |
◊ |
O |
x,y,z |
1_555 |
233 |
64 |
10642 |
2273.5 |
-33.2 |
0.935 |
61 |
0 |
0 |
0.870 |
17 |
|
A |
237 |
39 |
363604 |
◊ |
X |
x,y,z |
1_555 |
208 |
52 |
8123 |
2029.8 |
-37.8 |
0.369 |
39 |
0 |
0 |
0.077 |
18 |
|
A |
232 |
45 |
363604 |
◊ |
L |
x,y,z |
1_555 |
200 |
49 |
7259 |
1939.1 |
-29.9 |
0.754 |
49 |
0 |
0 |
0.072 |
19 |
|
A |
213 |
31 |
363604 |
◊ |
P |
x,y,z |
1_555 |
183 |
51 |
6527 |
1853.8 |
-26.0 |
0.740 |
41 |
0 |
0 |
0.062 |
20 |
|
A |
215 |
39 |
363604 |
◊ |
Y |
x,y,z |
1_555 |
165 |
37 |
5141 |
1692.6 |
-26.4 |
0.692 |
30 |
0 |
0 |
0.056 |
21 |
|
A |
206 |
37 |
363604 |
◊ |
G |
x,y,z |
1_555 |
166 |
45 |
10205 |
1646.5 |
-22.8 |
0.435 |
24 |
0 |
0 |
0.047 |
22 |
|
A |
174 |
36 |
363604 |
◊ |
1 |
x,y,z |
1_555 |
121 |
38 |
5678 |
1299.9 |
-20.1 |
0.911 |
21 |
0 |
0 |
0.041 |
23 |
|
B |
145 |
20 |
19635 |
◊ |
F |
x,y,z |
1_555 |
131 |
35 |
9706 |
1293.0 |
-20.3 |
0.703 |
17 |
0 |
0 |
0.039 |
24 |
|
A |
128 |
19 |
363604 |
◊ |
O |
x,y,z |
1_555 |
118 |
29 |
10642 |
1109.4 |
-8.9 |
0.383 |
10 |
0 |
0 |
0.017 |
25 |
|
A |
117 |
19 |
363604 |
◊ |
F |
x,y,z |
1_555 |
127 |
40 |
9706 |
1088.7 |
-11.3 |
0.897 |
19 |
0 |
0 |
0.028 |
26 |
|
B |
129 |
26 |
19635 |
◊ |
A |
x,y,z |
1_555 |
144 |
36 |
363604 |
1068.3 |
-24.9 |
0.969 |
14 |
0 |
0 |
0.044 |
27 |
|
1 |
107 |
30 |
5678 |
◊ |
C |
x,y,z |
1_555 |
115 |
36 |
14241 |
1036.4 |
-17.6 |
0.067 |
13 |
2 |
0 |
0.738 |
28 |
|
A |
117 |
21 |
363604 |
◊ |
W |
x,y,z |
1_555 |
110 |
28 |
4552 |
985.5 |
-13.2 |
0.762 |
21 |
0 |
0 |
0.029 |
29 |
|
A |
122 |
27 |
363604 |
◊ |
T |
x,y,z |
1_555 |
99 |
33 |
5194 |
984.9 |
-16.8 |
0.724 |
22 |
0 |
0 |
0.037 |
30 |
|
N |
73 |
21 |
12844 |
◊ |
H |
x,y,z |
1_555 |
72 |
18 |
6139 |
697.5 |
-7.8 |
0.077 |
9 |
4 |
0 |
0.015 |
31 |
|
A |
90 |
15 |
363604 |
◊ |
V |
x,y,z |
1_555 |
69 |
19 |
3939 |
689.5 |
-9.3 |
0.813 |
7 |
0 |
0 |
0.016 |
32 |
|
A |
71 |
10 |
363604 |
◊ |
H |
x,y,z |
1_555 |
58 |
20 |
6139 |
619.8 |
-12.8 |
0.545 |
17 |
0 |
0 |
0.026 |
33 |
|
B |
69 |
11 |
19635 |
◊ |
X |
x,y,z |
1_555 |
50 |
17 |
8123 |
547.5 |
-7.6 |
0.726 |
7 |
0 |
0 |
0.015 |
34 |
|
V |
53 |
15 |
3939 |
◊ |
L |
x,y,z |
1_555 |
51 |
16 |
7259 |
514.6 |
-7.7 |
0.060 |
6 |
1 |
0 |
0.012 |
35 |
|
R |
50 |
12 |
6617 |
◊ |
O |
x,y,z |
1_555 |
62 |
18 |
10642 |
511.5 |
-7.8 |
0.071 |
2 |
0 |
0 |
0.000 |
36 |
|
A |
53 |
9 |
363604 |
◊ |
I |
x,y,z |
1_555 |
47 |
13 |
2740 |
457.5 |
-6.2 |
0.767 |
8 |
0 |
0 |
0.000 |
37 |
|
W |
33 |
10 |
4552 |
◊ |
T |
x,y,z |
1_555 |
39 |
10 |
5194 |
342.5 |
-5.0 |
0.121 |
0 |
0 |
0 |
0.006 |
38 |
|
L |
33 |
11 |
7259 |
◊ |
L |
-x+1,y,-z+1/2 |
3_655 |
33 |
11 |
7259 |
329.6 |
-0.5 |
0.407 |
2 |
2 |
0 |
0.000 |
39 |
|
L |
26 |
9 |
7259 |
◊ |
D |
x,y,z |
1_555 |
37 |
11 |
18348 |
276.7 |
-1.4 |
0.330 |
2 |
0 |
0 |
0.000 |
40 |
|
K |
27 |
6 |
8479 |
◊ |
G |
x,y,z |
1_555 |
29 |
8 |
10205 |
272.3 |
-3.7 |
0.099 |
2 |
0 |
0 |
0.006 |
41 |
|
B |
34 |
7 |
19635 |
◊ |
R |
x,y,z |
1_555 |
24 |
5 |
6617 |
260.9 |
-2.6 |
0.776 |
5 |
0 |
0 |
0.000 |
42 |
|
3 |
31 |
7 |
5014 |
◊ |
T |
x,y,z |
1_555 |
34 |
9 |
5194 |
259.9 |
-3.2 |
0.203 |
1 |
0 |
0 |
0.005 |
43 |
|
K |
26 |
9 |
8479 |
◊ |
D |
x,y,z |
1_555 |
26 |
8 |
18348 |
233.3 |
1.0 |
0.582 |
7 |
1 |
0 |
0.000 |
44 |
|
[CLM]A:9001 |
18 |
1 |
464 |
f |
A |
x,y,z |
1_555 |
43 |
7 |
363604 |
226.2 |
0.5 |
0.896 |
2 |
0 |
0 |
0.000 |
45 |
|
O |
31 |
8 |
10642 |
◊ |
F |
x,y,z |
1_555 |
20 |
5 |
9706 |
217.4 |
0.8 |
0.672 |
2 |
0 |
0 |
0.000 |
46 |
|
P |
16 |
4 |
6527 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
14361 |
181.4 |
-1.4 |
0.265 |
0 |
0 |
0 |
0.000 |
47 |
|
B |
30 |
4 |
19635 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
24 |
3 |
363604 |
175.8 |
-0.0 |
0.940 |
1 |
0 |
0 |
0.000 |
48 |
|
V |
15 |
4 |
3939 |
◊ |
D |
x,y,z |
1_555 |
19 |
6 |
18348 |
173.6 |
-1.3 |
0.350 |
4 |
0 |
0 |
0.000 |
49 |
|
A |
24 |
6 |
363604 |
◊ |
W |
x,-y+1,-z |
4_565 |
18 |
7 |
4552 |
172.7 |
-3.5 |
0.443 |
1 |
0 |
0 |
0.000 |
50 |
|
3 |
20 |
5 |
5014 |
◊ |
2 |
x,y,z |
1_555 |
19 |
7 |
4822 |
170.8 |
-3.1 |
0.209 |
0 |
0 |
0 |
0.003 |
51 |
|
2 |
15 |
4 |
4822 |
◊ |
E |
x,y,z |
1_555 |
20 |
6 |
14361 |
157.2 |
-0.9 |
0.423 |
3 |
4 |
0 |
0.002 |
52 |
|
A |
16 |
2 |
363604 |
x |
A |
x-1/2,y-1/2,z |
5_445 |
21 |
4 |
363604 |
149.6 |
-5.4 |
0.543 |
2 |
0 |
0 |
0.000 |
53 |
|
N |
22 |
6 |
12844 |
◊ |
4 |
x,y,z |
1_555 |
12 |
4 |
7722 |
148.1 |
-3.2 |
0.088 |
1 |
0 |
0 |
0.002 |
54 |
|
A |
25 |
7 |
363604 |
◊ |
G |
-x,y,-z+1/2 |
3_555 |
18 |
6 |
10205 |
134.2 |
-0.6 |
0.826 |
0 |
0 |
0 |
0.000 |
55 |
|
[K]A:8202 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
363604 |
130.1 |
-87.8 |
0.000 |
0 |
0 |
0 |
0.123 |
56 |
|
A |
19 |
3 |
363604 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
19 |
3 |
363604 |
123.5 |
2.1 |
0.964 |
0 |
0 |
0 |
0.000 |
57 |
|
[K]A:8201 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
363604 |
122.3 |
-105.0 |
0.000 |
0 |
0 |
0 |
0.147 |
58 |
|
O |
13 |
6 |
10642 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
16 |
2 |
363604 |
108.5 |
-2.3 |
0.457 |
0 |
0 |
0 |
0.000 |
59 |
|
P |
15 |
7 |
6527 |
◊ |
M |
x,y,z |
1_555 |
11 |
4 |
11309 |
107.6 |
0.1 |
0.439 |
0 |
0 |
0 |
0.000 |
60 |
|
B |
16 |
4 |
19635 |
◊ |
J |
x,y,z |
1_555 |
15 |
5 |
8652 |
106.4 |
0.4 |
0.782 |
0 |
0 |
0 |
0.000 |
61 |
|
[CL]A:8505 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
363604 |
88.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.016 |
62 |
|
U |
17 |
5 |
8049 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
14361 |
85.5 |
-1.1 |
0.300 |
0 |
0 |
0 |
0.000 |
63 |
|
[CL]S:8506 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
9 |
4 |
8432 |
73.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.100 |
64 |
|
[CL]4:8504 |
1 |
1 |
125 |
f |
4 |
x,y,z |
1_555 |
13 |
6 |
7722 |
70.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.100 |
65 |
|
[CD]P:8405 |
1 |
1 |
112 |
f |
P |
x,y,z |
1_555 |
19 |
7 |
6527 |
68.1 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.049 |
66 |
|
[CL]A:8515 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
363604 |
67.5 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.014 |
67 |
|
[CL]A:8513 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
363604 |
67.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.013 |
68 |
|
[CL]K:8502 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
9 |
4 |
8479 |
63.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.037 |
69 |
|
[CL]A:8514 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
14 |
4 |
11309 |
63.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.049 |
70 |
|
[CL]N:8518 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
2 |
2 |
12844 |
62.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.100 |
71 |
|
[CL]P:8508 |
1 |
1 |
125 |
f |
P |
x,y,z |
1_555 |
10 |
4 |
6527 |
62.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.051 |
72 |
|
[CL]C:8509 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
14241 |
62.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.262 |
73 |
|
[CL]K:8501 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
12 |
4 |
8479 |
61.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.033 |
74 |
|
[CL]A:8522 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
363604 |
61.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.012 |
75 |
|
[CL]Z:8520 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
363604 |
61.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.008 |
76 |
|
[CL]O:8507 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
10 |
4 |
10642 |
60.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.122 |
77 |
|
[CL]A:8503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
363604 |
59.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.011 |
78 |
|
[CL]R:8511 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
10 |
5 |
6617 |
58.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.100 |
79 |
|
[CL]D:8519 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
18348 |
57.9 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
80 |
|
Z |
7 |
1 |
10458 |
◊ |
M |
x,y,z |
1_555 |
9 |
4 |
11309 |
57.3 |
0.7 |
0.640 |
0 |
0 |
0 |
0.000 |
81 |
|
[CL]M:8510 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
12 |
4 |
11309 |
57.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.051 |
82 |
|
X |
7 |
1 |
8123 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
10 |
1 |
363604 |
56.9 |
-0.7 |
0.295 |
0 |
0 |
0 |
0.000 |
83 |
|
[CL]K:8521 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
11 |
6 |
8479 |
56.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.030 |
84 |
|
[CL]A:8517 |
1 |
1 |
125 |
◊ |
Z |
x,y,z |
1_555 |
7 |
3 |
10458 |
55.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.006 |
85 |
|
B |
7 |
2 |
19635 |
◊ |
D |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
2 |
18348 |
55.6 |
-0.1 |
0.720 |
2 |
0 |
0 |
0.000 |
86 |
|
[CL]A:8516 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
7 |
3 |
8479 |
55.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.007 |
87 |
|
[CL]A:8516 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
363604 |
52.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.009 |
88 |
|
[CL]A:8517 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
363604 |
49.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.009 |
89 |
|
[CL]A:8512 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
10 |
5 |
7259 |
49.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.100 |
90 |
|
[CL]A:8512 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
363604 |
48.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.008 |
91 |
|
[CL]Z:8520 |
1 |
1 |
125 |
◊ |
Z |
x,y,z |
1_555 |
7 |
3 |
10458 |
47.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.004 |
92 |
|
[K]A:8202 |
1 |
1 |
216 |
◊ |
N |
x,y,z |
1_555 |
7 |
1 |
12844 |
44.3 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.029 |
93 |
|
[CL]P:8508 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
363604 |
42.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.006 |
94 |
|
[CL]A:8514 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
1 |
363604 |
40.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.005 |
95 |
|
[CL]D:8519 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
363604 |
40.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.003 |
96 |
|
F |
6 |
1 |
9706 |
◊ |
D |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
18348 |
40.0 |
-0.3 |
0.511 |
0 |
0 |
0 |
0.000 |
97 |
|
[CL]M:8510 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
363604 |
39.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.004 |
98 |
|
[CL]R:8511 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
363604 |
35.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.005 |
99 |
|
[CL]O:8507 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
9706 |
33.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.004 |
100 |
|
4 |
4 |
1 |
7722 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
11309 |
29.8 |
0.6 |
0.508 |
0 |
0 |
0 |
0.000 |
101 |
|
[CL]K:8521 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
363604 |
28.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.004 |
102 |
|
[CL]C:8509 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
363604 |
27.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.005 |
103 |
|
[CL]K:8501 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
10205 |
27.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.004 |
104 |
|
[CL]A:8503 |
1 |
1 |
125 |
◊ |
3 |
x,y,z |
1_555 |
2 |
1 |
5014 |
25.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.004 |
105 |
|
[CL]A:8522 |
1 |
1 |
125 |
◊ |
X |
x,y,z |
1_555 |
1 |
1 |
8123 |
14.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.002 |
106 |
|
[CL]S:8506 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
363604 |
13.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.001 |
107 |
|
I |
2 |
1 |
2740 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
363604 |
9.1 |
-0.0 |
0.578 |
0 |
0 |
0 |
0.000 |
108 |
|
[CL]A:8513 |
1 |
1 |
125 |
◊ |
Z |
x,y,z |
1_555 |
1 |
1 |
10458 |
8.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
109 |
|
O |
1 |
1 |
10642 |
◊ |
Q |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
10672 |
7.1 |
-0.1 |
0.412 |
0 |
0 |
0 |
0.000 |
110 |
|
[CL]O:8507 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
19635 |
4.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
111 |
|
[CL]Z:8520 |
1 |
1 |
125 |
f |
[CL]A:8513 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
112 |
|
[CL]K:8502 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
363604 |
2.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
113 |
|
[CD]1:8403 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
363604 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|